SCHEMBL12864124

SCHEMBL12864124

c1ccc(-n2c3ccccc3c3ccc(N(c4cc(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc(C5(c6cc(N(c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc(N(c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6)c6ccccc6-c6ccccc65)c4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ IL1R1 P14778 1/20 0.30
▸ KDR P35968 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12864139 0.93 KDM4E (0.43) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL12864150 0.91 L3MBTL1 (0.33) KDM4EATML3MBTL1LMNAMAPT
SCHEMBL19008287 0.90 KDM4E (0.40) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL19008304 0.90 KDM4E (0.40) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL19008291 0.89 KDM4E (0.42) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL26154323 0.89 KDM4E (0.42) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL2606158 0.87 KDM4E (0.40) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL24976651 0.87 KDM4E (0.40) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL15858705 0.87 KDM4E (0.40) KDM4EATML3MBTL1MEN1LMNA
SCHEMBL31630296 0.87 KDM4E (0.40) KDM4EATML3MBTL1MEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 KDM4E 1747/4885ATM 2324/4885L3MBTL1 1536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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